3H-phenoxazin | 261-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3H-phenoxazin
• 英文别名: 3H-Phenoxazine
• CAS: 261-77-8
• 化学式: C₁₂H₉NO
• 分子量: 183.21
• InChiKey: MOLUAYHPIDORGD-UHFFFAOYSA-N

物化性质

• 沸点：
  326.4±42.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF<br/>[FR] DERIVES DE 3H-PHENOXAZINE UTILISES EN TANT QU'AGENTS D'IMAGERIE INFRAROUGE, LEUR PREPARATION ET LEUR UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2005016934A1

  公开（公告）日：2005-02-24

  The present invention provides compounds of formula (I) wherein X and Y represent CH, CH2 or a divalent or trivalent heteroatom under the proviso that X and Y are not simultaneously CH or CH2; m and o represent independently of each other 0 or 1, with the proviso that if m is 0 then the dotted line between Y and the neighboring C atom represents a bond and Y is CH or a trivalent heteroatom, if m is 1 then the dotted line between Y and the neighboring C atom is absent and Y is CH2 or a divalent heteroatom, if o is 0 then the dotted line between X and the neighboring C atom represents a bond and X is CH or a trivalent heteroatom, if o is 1 then the dotted line between X and the neighboring C atom is absent and X is CH2 or a divalent heteroatom; A represents (CH3CR4)p and Q represents (CR9R10)n; n and p represent independently of each other 0 or 1; R6, R7, R13 and R14 denote independently of each other hydrogen, halogen, (C1-4)alkyl, (C1-4)alkylSO2, SO3H, carboxy, (C1-4)alkoxy carbonyl, (C1-4)alkoxy, OH or NR15R16; R1, R2, R3, R4, R9, R10, R11 and R12 denote independently of each other hydrogen, (C1-4)alkyl, carboxy, (C1-4)alkoxy carbonyl or (C1-4)alkoxy, or, when X is CH or CH2 then R1 and R2 can also be OH or NR15R16, or when Y is CH or CH2 then R11, R12 can also be OH or NR15R16; R5, R8, R15 and R16 are independently of each other hydrogen, (C1-4)alkyl, (C1-4)alkoxy, R17O-C(O)-(C1-4)alkyl or (reactive group)-(C1-4)alkyl; and R17 represents hydrogen or (C1-4)alkyl; compositions comprising such compounds, a process for the production of such compounds of formula (I), a method of labeling target structures, especially amyloid plaques, in the brain, a method for identifying Alzheimer's disease, use of a compound of formula I as a near-infrared imaging agent and a conjugate comprising a compound of formula (I) covalently linked to a biomolecule through a reactive group.

  本发明提供了以下式（I）的化合物，其中X和Y代表CH、CH2或一个二价或三价杂原子，前提是X和Y不能同时为CH或CH2；m和o分别独立地表示0或1，如果m为0，则Y与相邻的C原子之间的虚线表示键合，Y为CH或三价杂原子，如果m为1，则Y与相邻的C原子之间的虚线不存在，Y为CH2或二价杂原子，如果o为0，则X与相邻的C原子之间的虚线表示键合，X为CH或三价杂原子，如果o为1，则X与相邻的C原子之间的虚线不存在，X为CH2或二价杂原子；A表示（CH3CR4）p，Q表示（CR9R10）n；n和p分别独立地表示0或1；R6、R7、R13和R14分别独立地表示氢、卤素、（C1-4）烷基、（C1-4）烷基硫酰基、SO3H、羧基、（C1-4）烷氧羰基、（C1-4）烷氧基、羟基或NR15R16；R1、R2、R3、R4、R9、R10、R11和R12分别独立地表示氢、（C1-4）烷基、羧基、（C1-4）烷氧羰基或（C1-4）烷氧基，或者当X为CH或CH2时，R1和R2也可以是羟基或NR15R16，或者当Y为CH或CH2时，R11、R12也可以是羟基或NR15R16；R5、R8、R15和R16分别独立地表示氢、（C1-4）烷基、（C1-4）烷氧基、R17O-C（O）-（C1-4）烷基或（反应基）-（C1-4）烷基；R17表示氢或（C1-4）烷基；包括这种化合物的组合物，制备这种式（I）化合物的方法，标记靶结构的方法，尤其是大脑中的淀粉样斑块，识别阿尔茨海默病的方法，使用式I化合物作为近红外成像剂的用途，以及包括通过反应基与生物分子共价结合的式（I）化合物的共轭物。
• 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof
  申请人：Auberson Yves

  公开号：US20070031336A1

  公开（公告）日：2007-02-08

  The present invention provides compounds of formula (I) wherein X and Y represent CH, CH 2 or a divalent or trivalent heteroatom under the proviso that X and Y are not simultaneously CH or CH 2 ; m and o represent independently of each other 0 or 1, with the proviso that if m is 0 then the dotted line between Y and the neighboring C atom represents a bond and Y is CH or a trivalent heteroatom, if m is 1 then the dotted line between Y and the neighboring C atom is absent and Y is CH 2 or a divalent heteroatom, if o is 0 then the dotted line between X and the neighboring C atom represents a bond and X is CH or a trivalent heteroatom, if o is 1 then the dotted line between X and the neighboring C atom is absent and X is CH 2 or a divalent heteroatom; A represents (CH 3 CR 4 ) p and Q represents (CR 9 R 10 ) n ; n and p represent independently of each other 0 or 1; R 6 , R 7 , R 13 and R 14 denote independently of each other hydrogen, halogen, (C 1-4 )alkyl, (C 1-4 )alkylSO 2 , SO 3 H, carboxy, (C 1-4 )alkoxy carbonyl, (C 1-4 )alkoxy, OH or NR 15 R 16 ; R 1 , R 2 , R 3 , R 4 , R 9 , R 10 , R 11 and R 12 denote independently of each other hydrogen, (C 1-4 )alkyl, carboxy, (C 1-4 )alkoxy carbonyl or (C 1-4 )alkoxy, or, when X is CH or CH 2 then R 1 and R 2 can also be OH or NR 15 R 16 , or when Y is CH or CH 2 then R 11 , R 12 can also be OH or NR 15 R 16 ; R 5 , R 8 , R 15 and R 16 are independently of each other hydrogen, (C 1-4 )alkyl, (C 1-4 )alkoxy, R 17 O—C(O)—(C 1-4 )alkyl or (reactive group)-(C 1-4 )alkyl; and R 17 represents hydrogen or (C 1-4 )alkyl; compositions comprising such compounds, a process for the production of such compounds of formula (I), a method of labeling target structures, especially amyloid plaques, in the brain, a method for identifying Alzheimer's disease, use of a compound of formula I as a near-infrared imaging agent and a conjugate comprising a compound of formula (I) covalently linked to a biomolecule through a reactive group.

  本发明提供了公式（I）化合物，其中X和Y分别代表CH，CH2或二价或三价杂原子，前提是X和Y不同时为CH或CH2; m和o独立地表示0或1，前提是如果m为0，则Y与相邻的C原子之间的虚线表示一条键，并且Y为CH或三价杂原子，如果m为1，则Y与相邻的C原子之间的虚线不存在，并且Y为CH2或二价杂原子，如果o为0，则X与相邻的C原子之间的虚线表示一条键，并且X为CH或三价杂原子，如果o为1，则X与相邻的C原子之间的虚线不存在，并且X为CH2或二价杂原子; A表示（CH3CR4）p，Q表示（CR9R10）n; n和p独立地表示0或1; R6、R7、R13和R14独立地表示氢、卤、（C1-4）烷基、（C1-4）烷基SO2、SO3H、羧基、（C1-4）烷氧基羰基、（C1-4）烷氧基、OH或NR15R16; R1、R2、R3、R4、R9、R10、R11和R12独立地表示氢、（C1-4）烷基、羧基、（C1-4）烷氧基羰基或（C1-4）烷氧基，或者当X为CH或CH2时，R1和R2也可以是OH或NR15R16，或者当Y为CH或CH2时，R11、R12也可以是OH或NR15R16; R5、R8、R15和R16独立地表示氢、（C1-4）烷基、（C1-4）烷氧基、R17O-C（O）-（C1-4）烷基或（反应基）-（C1-4）烷基; R17表示氢或（C1-4）烷基; 包括这种化合物的组合物，制备这种化合物的方法，标记靶结构（特别是脑中的淀粉样斑块）的方法，识别阿尔茨海默病的方法，将公式I的化合物用作近红外成像剂的用途以及包括通过反应基共价连接到生物分子的公式（I）化合物的共轭物。
• BIOSENSOR AND METHOD FOR PREPARATION THEREOF
  申请人：Arkray, Inc.

  公开号：EP1679508A1

  公开（公告）日：2006-07-12

  The present invention provides a biosensor that can prevent a mediator from being affected by oxygen, thereby allowing an analyte in a sample solution to be measured rapidly and easily with high accuracy. The biosensor can be produced by providing a substrate having electrodes, applying a solvent containing a mediator, a surfactant, a buffer, and a layered inorganic compound to surfaces of the electrodes to form an inorganic gel layer for preventing natural oxidation of the mediator, and forming an enzyme reagent layer containing an oxidoreductase on the inorganic gel layer. In this biosensor, due to the inorganic gel layer, the mediator having been reduced by the reaction between an analyte and the oxidoreductase can be measured electrochemically, without being reoxidized by dissolved oxygen or the like.

  本发明提供了一种生物传感器，它可以防止介质受到氧气的影响，从而快速、简便、高精度地测量样品溶液中的分析物。该生物传感器的制作方法是：提供一个具有电极的基底，在电极表面涂抹含有介质、表面活性剂、缓冲剂和层状无机化合物的溶剂，以形成无机凝胶体层，防止介质自然氧化，并在无机凝胶体层上形成含有氧化还原酶的酶试剂层。在这种生物传感器中，由于无机凝胶体层的存在，被分析物与氧化还原酶反应还原的介质可以通过电化学方法进行测量，而不会被溶解氧或类似物重新氧化。
• CURE-INDICATING MOLDING AND COATING COMPOSITION
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0767809B1

  公开（公告）日：2004-01-21
• 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF
  申请人：Novartis AG

  公开号：EP1658294A1

  公开（公告）日：2006-05-24